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N-(2-Phenyl-4,4-dimethyl-3-oxocyclobut-1-en-1-yl)-S-methyl-S-(4-bromophenyl)sulfoximine
SpectraBase Compound ID LWF31t4l8aH
InChI InChI=1S/C19H18BrNO2S/c1-19(2)17(16(18(19)22)13-7-5-4-6-8-13)21-24(3,23)15-11-9-14(20)10-12-15/h4-12H,1-3H3
InChIKey HLBMMECSSRFAMM-UHFFFAOYSA-N
Mol Weight 404.32 g/mol
Molecular Formula C19H18BrNO2S
Exact Mass 403.024163 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DjXTOi7V2YY
Name N-(2-Phenyl-4,4-dimethyl-3-oxocyclobut-1-en-1-yl)-S-methyl-S-(4-bromophenyl)sulfoximine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H18BrNO2S
InChI InChI=1S/C19H18BrNO2S/c1-19(2)17(16(18(19)22)13-7-5-4-6-8-13)21-24(3,23)15-11-9-14(20)10-12-15/h4-12H,1-3H3
InChIKey HLBMMECSSRFAMM-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol4026028
Molecular Weight 404.322 g/mol
SMILES C1(C)(C(N=S(c2ccc(cc2)Br)(C)=O)=C(c2ccccc2)C1=O)C
SPLASH splash10-08fr-0290000000-05c223e87d2853ec37dd
Source of Spectrum A1-15-5397/SMS10-4k
Wiley ID 1751032